%chk=000206237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206237

0 1
S 1.419796 -1.756751 -1.335712
N -1.994106 -0.343660 0.136836
N -3.197949 -0.974531 0.104389
N 1.180867 -0.172104 0.739662
C -0.935475 -1.265901 0.026151
C 0.469202 -0.950523 -0.030603
C -1.529131 -2.535244 -0.062190
C -1.934470 1.099604 0.222292
C -2.938959 -2.317966 -0.005570
C 2.866227 -0.964754 -0.769198
C 2.548155 -0.148693 0.351425
C -1.153611 1.707364 1.216756
C -2.687128 1.864180 -0.685800
C -4.009351 -3.335093 -0.052499
C 4.165743 -1.048190 -1.260270
C 3.553086 0.596941 0.989288
C -1.109194 3.102700 1.278044
C -2.633158 3.256609 -0.602103
C 5.155205 -0.302346 -0.618594
C 4.850563 0.509213 0.491978
C -1.843469 3.876009 0.373331
H -1.032206 -3.480000 -0.145496
H -0.583166 1.103553 1.928055
H -3.310377 1.373491 -1.434857
H -3.964655 -3.918347 -0.984272
H -3.924167 -4.040009 0.788390
H -5.011747 -2.879797 0.003094
H 4.404442 -1.674637 -2.118072
H 3.307727 1.220419 1.848021
H -0.499164 3.586510 2.040528
H -3.210723 3.861351 -1.300569
H 6.182539 -0.345663 -0.979575
H 5.649666 1.077708 0.968501
H -1.803711 4.962859 0.429737


%chk=000206237-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206237

0 1
S 1.547041 -2.028388 -1.247767
N -1.933810 -0.274391 0.139843
N -3.168418 -0.929052 0.067830
N 1.292266 -0.070059 0.590924
C -0.873793 -1.187064 -0.030608
C 0.558369 -0.930717 -0.088580
C -1.474183 -2.453265 -0.204044
C -1.975503 1.164786 0.245245
C -2.881013 -2.251423 -0.128239
C 3.022058 -1.168557 -0.659834
C 2.663591 -0.161137 0.297982
C -0.991639 1.892217 0.954572
C -3.077199 1.835198 -0.345637
C -3.992039 -3.259260 -0.219919
C 4.363671 -1.379852 -1.033912
C 3.671665 0.642259 0.883873
C -1.105286 3.297441 1.046494
C -3.180308 3.236434 -0.237990
C 5.355930 -0.567664 -0.440335
C 5.012466 0.433255 0.509439
C -2.193621 3.976886 0.455232
H -0.945282 -3.395137 -0.335521
H -0.146769 1.371026 1.409175
H -3.837609 1.249064 -0.866907
H -3.959875 -3.806506 -1.179571
H -3.923867 -4.007267 0.590980
H -4.967160 -2.751759 -0.140557
H 4.637751 -2.147395 -1.763833
H 3.390254 1.405538 1.615181
H -0.340354 3.858631 1.594578
H -4.031523 3.749949 -0.698342
H 6.405096 -0.713724 -0.718666
H 5.801995 1.047898 0.954363
H -2.275600 5.066337 0.535648


